SCHEMBL29779171

SCHEMBL29779171

COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.64
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
PTGS1 P23219 5/20 0.36
PTGS2 P35354 5/20 0.36
ABCG2 Q9UNQ0 2/20 0.35
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
MITF O75030 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
ALDH1A1 P00352 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21638079 1.00 XDH (0.64) XDHNPC1KDM4EMEN1POLB
Asperpyrone A SCHEMBL29779212 0.82 XDH (0.93) XDHKDM4EMEN1POLBMAPT
SCHEMBL29459738 0.81 KDM4E (0.60) XDHNPC1KDM4EMEN1POLB
Fonsecinone A SCHEMBL29779161 0.78 XDH (1.00) XDHKDM4EMEN1POLBMAPT
Aurasperone A SCHEMBL29779131 0.77 XDH (0.80) XDHPTGS1PTGS2ABCG2KLK7
Asperpyrone C SCHEMBL29779200 0.73 XDH (0.73) XDHPTGS1PTGS2ABCG2KLK7
SCHEMBL21638065 0.71 NPC1 (1.00) XDHNPC1KDM4EMEN1POLB
SCHEMBL30780099 0.71 NPC1 (1.00) XDHNPC1KDM4EMEN1POLB
SCHEMBL16226658 0.66 ABCG2 (0.66) XDHKDM4EMAPTPTGS1PTGS2
SCHEMBL29779211 0.66 ABCG2 (0.66) XDHKDM4EMAPTPTGS1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114848628-B Application of naphtho gamma-pyrone compounds in preparation of anti-helicobacter pylori medicines or health care products 暨南大学 2023-07-25 CN disclosed
CN-114848628-A Application of naphtho-gamma-pyrone compounds in preparation of anti-helicobacter pylori medicines or prevention health-care products 暨南大学 2022-08-05 CN disclosed
CN-113444644-B Application of naphtho-gamma-pyrone compounds in preparation of anti-helicobacter pylori medicines or prevention health-care products 暨南大学 2022-07-19 CN disclosed